tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate

C17H31N3O2S — CID 107253936

IUPACtert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate
SMILESCc1nc(C)c(C(C)NC(CNC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C17H31N3O2S/c1-10(2)14(9-18-16(21)22-17(6,7)8)20-12(4)15-11(3)19-13(5)23-15/h10,12,14,20H,9H2,1-8H3,(H,18,21)
InChIKeyYKYSPLTWVIBVBQ-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.96
Rot. Bonds6

About tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate

tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate (PubChem CID 107253936) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate
PubChem CID107253936
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Nametert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate
SMILESCc1nc(C)c(C(C)NC(CNC(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C17H31N3O2S/c1-10(2)14(9-18-16(21)22-17(6,7)8)20-12(4)15-11(3)19-13(5)23-15/h10,12,14,20H,9H2,1-8H3,(H,18,21)
InChIKeyYKYSPLTWVIBVBQ-UHFFFAOYSA-N
XLogP3.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 81337805
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
tert-butyl 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoate
CID 106707199
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
methyl (2S)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutanoate
CID 63752427
tert-butyl N-[3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]carbamate
CID 107253949
potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 178172421
tert-butyl N-[2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-methylbutyl]carbamate
CID 107254353
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 82238393
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
2-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 170832200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate (CID 107253936) is tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate is Cc1nc(C)c(C(C)NC(CNC(=O)OC(C)(C)C)C(C)C)s1.
What is the InChIKey of tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate?
The InChIKey is YKYSPLTWVIBVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-10(2)14(9-18-16(21)22-17(6,7)8)20-12(4)15-11(3)19-13(5)23-15/h10,12,14,20H,9H2,1-8H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate?
tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate has a molecular weight of 341.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate is sourced from PubChem (CID 107253936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).